CID 5915543

Nsc612067

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1=CC=C(C=C1)/C=C/C(CC2=NC3=CC=CC=C3N2)O
InChI
InChI=1S/C17H16N2O/c20-14(11-10-13-6-2-1-3-7-13)12-17-18-15-8-4-5-9-16(15)19-17/h1-11,14,20H,12H2,(H,18,19)/b11-10+
InChIKey
HPAPYULRKWBJBF-ZHACJKMWSA-N
Compound name
(E)-1-(1H-benzimidazol-2-yl)-4-phenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.4
[M+Na]+ 287.11547 169.1
[M-H]- 263.11897 163.7
[M+NH4]+ 282.16007 176.4
[M+K]+ 303.08941 162.1
[M+H-H2O]+ 247.12351 152.9
[M+HCOO]- 309.12445 180.5
[M+CH3COO]- 323.14010 172.1
[M+Na-2H]- 285.10092 166.4
[M]+ 264.12570 160.2
[M]- 264.12680 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.